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Compound Detail

CHEMBL1933454

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COc1cc(OC)cc(-c2cccc(Cc3cn(Cc4cc(F)cc(F)c4)c(N)n3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933454
Phase Preclinical
Structure Type MOL
InChI Key SLRVECCOWGOFDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
5.07
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23F2N3O2
MW 435.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
22209418 10.1016/j.ejmech.2011.12.016 Beta-secretase 1 2

Data from ChEMBL 36 via Core Engine